Mechanical instability of monocrystalline and polycrystalline methane hydrates

Jianyang Wu, Fulong Ning (), Thuat T. Trinh, Signe Kjelstrup, Thijs J. H. Vlugt, Jianying He, Bjørn H. Skallerud and Zhiliang Zhang ()
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Jianyang Wu: Research Institute for Biomimetics and Soft Matter, Xiamen University
Fulong Ning: Faculty of Engineering, China University of Geosciences
Thuat T. Trinh: Faculty of Natural Sciences and Technology, Norwegian University of Science and Technology
Signe Kjelstrup: Faculty of Natural Sciences and Technology, Norwegian University of Science and Technology
Thijs J. H. Vlugt: Process and Energy Laboratory, Delft University of Technology
Jianying He: Faculty of Engineering Science and Technology, Norwegian University of Science and Technology
Bjørn H. Skallerud: Faculty of Engineering Science and Technology, Norwegian University of Science and Technology
Zhiliang Zhang: Faculty of Engineering Science and Technology, Norwegian University of Science and Technology

Nature Communications, 2015, vol. 6, issue 1, 1-10

Abstract: Abstract Despite observations of massive methane release and geohazards associated with gas hydrate instability in nature, as well as ductile flow accompanying hydrate dissociation in artificial polycrystalline methane hydrates in the laboratory, the destabilising mechanisms of gas hydrates under deformation and their grain-boundary structures have not yet been elucidated at the molecular level. Here we report direct molecular dynamics simulations of the material instability of monocrystalline and polycrystalline methane hydrates under mechanical loading. The results show dislocation-free brittle failure in monocrystalline hydrates and an unexpected crossover from strengthening to weakening in polycrystals. Upon uniaxial depressurisation, strain-induced hydrate dissociation accompanied by grain-boundary decohesion and sliding destabilises the polycrystals. In contrast, upon compression, appreciable solid-state structural transformation dominates the response. These findings provide molecular insight not only into the metastable structures of grain boundaries, but also into unusual ductile flow with hydrate dissociation as observed during macroscopic compression experiments.

Date: 2015
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DOI: 10.1038/ncomms9743

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